10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione

C26H22O6 — CID 102564616

IUPAC10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione
SMILESO=C1CC(c2coc3ccccc3c2=O)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1
InChIInChI=1S/C26H22O6/c27-19-13-26(10-4-1-5-11-26)32-25-15(19)8-9-21-23(25)17(12-22(28)31-21)18-14-30-20-7-3-2-6-16(20)24(18)29/h2-3,6-9,14,17H,1,4-5,10-13H2
InChIKeyJGLTVONHYUYORL-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.90
Rot. Bonds1

About 10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione

10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione (PubChem CID 102564616) has the molecular formula C26H22O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is 10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione.

Molecular Properties

Compound Name10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione
PubChem CID102564616
Molecular FormulaC26H22O6
Molecular Weight430.46 g/mol
Exact Mass430.14
IUPAC Name10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione
SMILESO=C1CC(c2coc3ccccc3c2=O)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1
InChIInChI=1S/C26H22O6/c27-19-13-26(10-4-1-5-11-26)32-25-15(19)8-9-21-23(25)17(12-22(28)31-21)18-14-30-20-7-3-2-6-16(20)24(18)29/h2-3,6-9,14,17H,1,4-5,10-13H2
InChIKeyJGLTVONHYUYORL-UHFFFAOYSA-N
XLogP4.90
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione?
The IUPAC name of 10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione (CID 102564616) is 10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione.
What is the SMILES notation for 10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione?
The canonical SMILES for 10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione is O=C1CC(c2coc3ccccc3c2=O)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1.
What is the InChIKey of 10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione?
The InChIKey is JGLTVONHYUYORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O6/c27-19-13-26(10-4-1-5-11-26)32-25-15(19)8-9-21-23(25)17(12-22(28)31-21)18-14-30-20-7-3-2-6-16(20)24(18)29/h2-3,6-9,14,17H,1,4-5,10-13H2.
What are the key properties of 10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione?
10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione has a molecular weight of 430.46 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione is sourced from PubChem (CID 102564616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).